200,000+ products from a single source!
sales@angenechem.com
160388-51-2 | Benzeneacetic acid, 4-(1H-pyrazol-1-ylmethyl)-
CAS No: 160388-51-2 Catalog No: AG001RVX MDL No:
Product Description
Catalog Number:
AG001RVX
Chemical Name:
Benzeneacetic acid, 4-(1H-pyrazol-1-ylmethyl)-
CAS Number:
160388-51-2
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid
InChI:
InChI=1S/C12H12N2O2/c15-12(16)8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,8-9H2,(H,15,16)
InChI Key:
FGOUWZMAKYNJBA-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)Cn1cccn1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| A structure-permeability study of small drug-like molecules. | Bioorganic & medicinal chemistry letters 20030224 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.